(E)-3-(4-chlorophenyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one

Formula:C23H25N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-3-(4-chlorophenyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
MolecularFormula	C23H25N4O4Cl
Smiles	[O-][N+](c(ccc(N(CC1)CCN1C(/C=C/c(cc1)ccc1Cl)=O)c1)c1N1CCOCC1)=O
InChI	InChI=1S/C23H25ClN4O4/c24-19-4-1-18(2-5-19)3-8-23(29)27-11-9-25(10-12-27)20-6-7-21(28(30)31)22(17-20)26-13-15-32-16-14-26/h1-8,17H,9-16H2
InChIK	IHBNFJKYLUBWKS-UHFFFAOYSA-N
TotalMolweight	456.929
Molweight	456.929
MonoisotopicMass	456.156433
CLogP	2.6211
CLogS	-4.342
H Acceptors	8
TotalSurfaceArea	340.34
Relative PSA	0.18837
PolarSurfaceArea	81.84
Druglikeness	-0.64759
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	6
Amides	1
Amines	2
Aromatic Amines	2
AcidicOxygens	1
StereoCon

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